SCHEMBL5754320

SCHEMBL5754320

O=C(O)N1C(=O)OC(c2ccc(F)cc2)C1Cc1cccc(SC(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
KCNN4 O15554 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
FADS1 O60427 5/20 0.31
MAOB P27338 1/20 0.31
MDM2 Q00987 1/20 0.31
PTGDR2 Q9Y5Y4 2/20 0.31
CETP P11597 2/20 0.31
CHRM1 P11229 1/20 0.30
DRD2 P14416 1/20 0.30
PPARG P37231 1/20 0.30
MAPT P10636 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5755612 0.81 KCNN4 (0.35) KCNN4FADS1MAOBMDM2PTGDR2
SCHEMBL5751832 0.81 MDM2 (0.35) KCNN4FADS1MAOBMDM2PTGDR2
SCHEMBL5752903 0.80 KCNN4 (0.35) KCNN4FADS1MAOBMDM2PTGDR2
SCHEMBL5751613 0.79 KCNN4 (0.39) KCNN4MAOBMDM2PTGDR2
SCHEMBL5749871 0.74 GRM5 (0.35) UBE2MDCUN1D1FFAR4MDM2CETP
SCHEMBL5752580 0.74 FADS1 (0.44) FADS1MDM2MAPT
SCHEMBL5752015 0.73 KCNN4 (0.34) KCNN4FADS1MAOB
SCHEMBL5751187 0.71 EGLN2 (0.35) KCNN4FADS1MAOBMAPT
SCHEMBL5752464 0.70 KCNN4 (0.33) KCNN4MAOB
SCHEMBL5753523 0.70 HCRTR1 (0.37) CETPMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP UBE2M 3130/4885DCUN1D1 3324/4885KCNN4 4807/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.